(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

C23H19N3O3S — CID 18842037

IUPAC(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N/c3ccccn3)N(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C23H19N3O3S/c1-28-18-12-11-16(14-19(18)29-2)15-20-22(27)26(17-8-4-3-5-9-17)23(30-20)25-21-10-6-7-13-24-21/h3-15H,1-2H3/b20-15-,25-23+
InChIKeyUWBPZMUIURGBOU-UTYGHKOPSA-N
MW417.49 g/mol
LogP4.91
Rot. Bonds5

About (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 18842037) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID18842037
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N/c3ccccn3)N(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C23H19N3O3S/c1-28-18-12-11-16(14-19(18)29-2)15-20-22(27)26(17-8-4-3-5-9-17)23(30-20)25-21-10-6-7-13-24-21/h3-15H,1-2H3/b20-15-,25-23+
InChIKeyUWBPZMUIURGBOU-UTYGHKOPSA-N
XLogP4.91
TPSA64.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842032
(2E,5Z)-3-phenyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842113
(2E,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841730
2-(2,6-dimethylphenyl)imino-5-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 4026133
(2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841781
(2E,5E)-5-[(1-methylpyrrol-2-yl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842073
(5Z)-5-[[3-methoxy-4-(2,3,4,5,6-pentafluorophenoxy)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126342809
(5Z)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 5287093
3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 4016327
(2E,5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844503
(2E,5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one
CID 18846040
(2E,5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-[(4-methyl-1,3-thiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one
CID 18845018

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 18842037) is (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is COc1ccc(/C=C2\S/C(=N/c3ccccn3)N(c3ccccc3)C2=O)cc1OC.
What is the InChIKey of (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is UWBPZMUIURGBOU-UTYGHKOPSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-28-18-12-11-16(14-19(18)29-2)15-20-22(27)26(17-8-4-3-5-9-17)23(30-20)25-21-10-6-7-13-24-21/h3-15H,1-2H3/b20-15-,25-23+.
What are the key properties of (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 417.49 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).